Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
TL;DR: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide (CAS 145787-26-4) is a chemical compound with molecular formula C21H26N4O3S and molecular weight 414.17258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide, 4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one, 4,6-Dimethyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1H-1lambda~6~-[1,2]thiazolo[5,4-b]pyridine-1,1,3(2H)-trione
Technical Specifications
| Molecular Formula | C21H26N4O3S |
| Molecular Weight | 414.17258 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.17258 Da |
| Heavy Atoms | 29 |
| Complexity | 681.0 |
| SMILES | CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=CC=CC=C4)C |
| InChIKey | VPCTUIJYBSXDLY-UHFFFAOYSA-N |
Chemical Property Profile of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
Property Insights of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide. Following Lipinski's Rule of Five, Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide?
The CAS number of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide is 145787-26-4.
What is the molecular formula of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide?
The molecular formula of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide is C21H26N4O3S.
What is the molecular weight of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide?
The molecular weight of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide is 414.17258 g/mol.
Where can I buy Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide?
You can request a quote for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.